Created and changes in COMMON files for MD_DFA

diff --git a/source/unres/src_MD_DFA/COMMON.DERIV b/source/unres/src_MD_DFA/COMMON.DERIV
index 2a5ddcf..58543a0 100644 (file)
--- a/source/unres/src_MD_DFA/COMMON.DERIV
+++ b/source/unres/src_MD_DFA/COMMON.DERIV
@@ -22,7 +22,9 @@
      & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres),
      & gsccorx(3,maxres),gsccor_loc(maxres),dtheta(3,2,maxres),
      & gscloc(3,maxres),gsclocx(3,maxres),
-     & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl,icg
+     & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl,icg,
+     & gdfad(3,maxres),gdfat(3,maxres),gdfan(3,maxres),gdfab(3,maxres)
+
       double precision derx,derx_turn
       common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2)
       double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),

diff --git a/source/unres/src_MD_DFA/COMMON.FFIELD b/source/unres/src_MD_DFA/COMMON.FFIELD
index 2deca8e..29c73f0 100644 (file)
--- a/source/unres/src_MD_DFA/COMMON.FFIELD
+++ b/source/unres/src_MD_DFA/COMMON.FFIELD
@@ -7,6 +7,7 @@ C-----------------------------------------------------------------------
       common /ffield/ wsc,wscp,welec,wbond,wstrain,wtor,wtor_d,wang,
      &  wscloc,wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
      &  wturn6,wvdwpp,wsct,weights(n_ene),temp0,
+     &  wdfa_dist,wdfa_tor,wdfa_nei,wdfa_beta,
      &  scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp,
      &  rescale_mode
       common /potentials/ potname(5)